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42 #ifndef PURI_INFO_HEADER
43 #define PURI_INFO_HEADER
real homo_estim_low_F
Definition: puri_info.h:207
real lumo_bound_low
Definition: puri_info.h:89
real homo_bound_upp
Definition: puri_info.h:88
real norm_F_Fprev
Definition: puri_info.h:192
double homo_eigensolver_time
Definition: puri_info.h:218
double orbital_lumo_time
Definition: puri_info.h:70
Definition of the main floating-point datatype used; the ergo_real type.
real get_total_purify_time()
Definition: puri_info.cc:118
real get_total_Xsquare_time()
Definition: puri_info.cc:48
void get_spectrum_bounds(real &lower_spectrum_bound_, real &upper_spectrum_bound_) const
Definition: puri_info.cc:175
real eigValLUMO
Definition: puri_info.h:221
real total_time
Definition: puri_info.h:193
Definition: puri_info.h:141
int method
Definition: puri_info.h:189
double ergo_real
Definition: realtype.h:69
double lumo_eigensolver_time
Definition: puri_info.h:219
void get_vec_frob_norms(std::vector< real > &norms)
Definition: puri_info.cc:137
real upper_spectrum_bound
Definition: puri_info.h:226
double inf_diff_time
Definition: puri_info.h:68
void get_poly_seq(std::vector< int > &norms)
Definition: puri_info.cc:128
int total_it
Definition: puri_info.h:194
double orbital_homo_time
Definition: puri_info.h:69
ergo_real real
Definition: test.cc:46
real get_total_frob_diff_time()
Definition: puri_info.cc:94
void print_collected_info()
Definition: puri_info.cc:187
real threshold_X
Definition: puri_info.h:57
real alpha
Definition: puri_info.h:94
double mixed_diff_time
Definition: puri_info.h:65
double DX_mult_lumo_time
Definition: puri_info.h:72
real homo_bound_low
Definition: puri_info.h:87
ergo_real real
Definition: puri_info.h:143
double DX_mult_homo_time
Definition: puri_info.h:71
real NNZ_X
Definition: puri_info.h:83
void print_collected_info_printf()
Definition: puri_info.cc:269
int poly
Definition: puri_info.h:81
#define LOG_AREA_DENSFROMF
Definition: output.h:61
real get_total_stopping_criterion_time()
Definition: puri_info.cc:102
int estim_total_it
Definition: puri_info.h:196
real lumo_estim_low_F
Definition: puri_info.h:209
int homo_eigensolver_iter
Definition: puri_info.h:216
real lower_spectrum_bound
Definition: puri_info.h:227
Definition: puri_info.h:52
PuriInfo::real real
Definition: puri_info.cc:45
int additional_iterations
Definition: puri_info.h:197
int converged
Definition: puri_info.h:199
real error_subspace
Definition: puri_info.h:201
double frob_diff_time
Definition: puri_info.h:66
double Xsquare_time
Definition: puri_info.h:58
ergo_real real
Definition: puri_info.h:54
int homo_eigenvector_is_computed_in_iter
Definition: puri_info.h:214
double total_time
Definition: puri_info.h:61
IterationInfo()
Definition: puri_info.h:99
real get_total_Xtrunc_time()
Definition: puri_info.cc:56
double purify_time
Definition: puri_info.h:60
std::vector< IterationInfo > Iterations
Definition: puri_info.h:223
void get_vec_traces(std::vector< real > &traces)
Definition: puri_info.cc:165
#define LOG_CAT_INFO
Definition: output.h:49
Header file with typedefs for matrix and vector types. The levels of hierarchic matrices are defined ...
real eigValHOMO
Definition: puri_info.h:220
int stopping_criterion
Definition: puri_info.h:191
real XmX2_eucl
Definition: puri_info.h:79
double eucl_diff_time
Definition: puri_info.h:63
real lumo_estim_upp_F
Definition: puri_info.h:208
int it
Definition: puri_info.h:56
real XmX2_infty_norm
Definition: puri_info.h:77
real order
Definition: puri_info.h:80
bool homo_eigenvector_is_computed
Definition: puri_info.h:212
int lumo_eigenvector_is_computed_in_iter
Definition: puri_info.h:215
real lumo_bound_upp
Definition: puri_info.h:90
bool lumo_eigenvector_is_computed
Definition: puri_info.h:213
void get_vec_mixed_norms(std::vector< real > &norms)
Definition: puri_info.cc:155
real constantC
Definition: puri_info.h:96
bool compute_eigenvectors_in_this_SCF_cycle
Definition: puri_info.h:211
real get_total_nnz_time()
Definition: puri_info.cc:64
real gap
Definition: puri_info.h:82
real get_total_eucl_diff_time()
Definition: puri_info.cc:80
void set_spectrum_bounds(const real lower_spectrum_bound_, const real upper_spectrum_bound_)
Definition: puri_info.cc:181
real time_spectrum_bounds
Definition: puri_info.h:195
double trace_diff_time
Definition: puri_info.h:64
real XmX2_fro_norm
Definition: puri_info.h:76
real commutation_error
Definition: puri_info.h:92
void do_output(int logCategory, int logArea, const char *format,...)
Definition: output.cc:53
double homo_eig_solver_time
Definition: puri_info.h:73
PuriInfo()
Definition: puri_info.h:145
real get_total_inf_diff_time()
Definition: puri_info.cc:73
int lumo_eigensolver_iter
Definition: puri_info.h:217
double lumo_eig_solver_time
Definition: puri_info.h:74
double stopping_criterion_time
Definition: puri_info.h:62
real accumulated_error_subspace
Definition: puri_info.h:202
real get_total_trace_diff_time()
Definition: puri_info.cc:110
real XmX2_trace
Definition: puri_info.h:75
real homo_estim_upp_F
Definition: puri_info.h:206
double nnz_time
Definition: puri_info.h:67
real accumulated_time_calls_for_eigenvec_functions
Definition: puri_info.h:204
real NNZ_X2
Definition: puri_info.h:84
int debug_output
Definition: puri_info.h:224
real XmX2_mixed_norm
Definition: puri_info.h:78
void get_vec_infty_norms(std::vector< real > &norms)
Definition: puri_info.cc:146
Functionality for writing output messages to a text file.
File containing classes IterationInfo and PuriInfo. IterationInfo is a class with the information sto...
real get_total_mixed_diff_time()
Definition: puri_info.cc:87
double trunc_time
Definition: puri_info.h:59